DESMETHYL RANOLAZINE .BETA.-D-GLUCURONIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C29H39N3O10
Molecular Weight	589.6341
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DESMETHYL RANOLAZINE .BETA.-D-GLUCURONIDE

Structure Search

SMILES

CC1=CC=CC(C)=C1NC(=O)CN2CCN(CC(O)COC3=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=CC=C3)CC2

InChI

InChIKey=YLNYEZQRRIKMQF-XDBQMMMZSA-N

InChI=1S/C29H39N3O10/c1-17-6-5-7-18(2)23(17)30-22(34)15-32-12-10-31(11-13-32)14-19(33)16-40-20-8-3-4-9-21(20)41-29-26(37)24(35)25(36)27(42-29)28(38)39/h3-9,19,24-27,29,33,35-37H,10-16H2,1-2H3,(H,30,34)(H,38,39)/t19?,24-,25-,26+,27-,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H39N3O10
Molecular Weight	589.6341
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:15:19 GMT 2023` Edited by `admin` on `Sat Dec 16 15:15:19 GMT 2023`
Record UNII	HU5FA97EED
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DESMETHYL RANOLAZINE .BETA.-D-GLUCURONIDE

Common Name

English

DES-O-METHYL-O-GLUCURONIDE-RANOLAZINE

Common Name

English

2-(3-(4-(2-((2,6-DIMETHYLPHENYL)AMINO)-2-OXOETHYL)-1-PIPERAZINYL)-2-HYDROXYPROPOXY)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

RANOLAZINE, O-METHYL-O-GLUCURONIDE-

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-(3-(4-(2-((2,6-DIMETHYLPHENYL)AMINO)-2-OXOETHYL)-1-PIPERAZINYL)-2-HYDROXYPROPOXY)PHENYL

Systematic Name

English

DESMETHYL RANOLAZINE B-D-GLUCURONIDE

Common Name

English

(2S,3S,4S,5R,6S)-6-(2-(3-(4-(2-(2,6-DIMETHYLANILINO)-2-OXOETHYL)PIPERAZIN-1-YL)-2-HYDROXYPROPOXY)PHENOXY)-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

CAS

172300-93-5

Created by admin on Sat Dec 16 15:15:19 GMT 2023 , Edited by admin on Sat Dec 16 15:15:19 GMT 2023

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EPA CompTox

DTXSID20747561

Created by admin on Sat Dec 16 15:15:19 GMT 2023 , Edited by admin on Sat Dec 16 15:15:19 GMT 2023

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PUBCHEM

131874977

Created by admin on Sat Dec 16 15:15:19 GMT 2023 , Edited by admin on Sat Dec 16 15:15:19 GMT 2023

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FDA UNII

HU5FA97EED

Created by admin on Sat Dec 16 15:15:19 GMT 2023 , Edited by admin on Sat Dec 16 15:15:19 GMT 2023

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